copper(2+) ion bis(2-aminoacetate)

• ChemBase ID: 287146
• Molecular Formular: C4H8CuN2O4
• Molecular Mass: 211.66332
• Monoisotopic Mass: 210.97800425
• SMILES: O=C([O-])CN.[Cu+2].[O-]C(=O)CN
• Canonical SMILES: NCC(=O)[O-].NCC(=O)[O-].[Cu+2]
• InChI: InChI=1S/2C2H5NO2.Cu/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);/q;;+2/p-2
• InChIKey: VVYPIVJZLVJPGU-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion bis(2-aminoacetate)
• IUPAC Traditional name: copper(2+) ion diglycinate
• Synonyms: Bis(2-aminoacetoxy)copper

Database IDs

• CAS Number: 13479-54-4
• MDL Number: MFCD00065114
• PubChem SID: 180672677
• PubChem CID: 3032611

CALCULATED PROPERTIES

• Acid pKa: 2.307457
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4094565
• LogD (pH = 7.4): -3.4150424
• Log P: -3.4094596
• Molar Refractivity: 26.8405 cm^3
• Polarizability: 6.4318523 Å^3
• Polar Surface Area: 66.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%